> Alkaloids and derivatives / Homoaporphines
|
(10S)-3,5,17-trimethoxy-11-methyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,14,16-hexaene-4,16-diol
|
162952829 |
Click to see
CN1CCC2=CC(=C(C3=C2C1CCC4=CC(=C(C(=C43)OC)O)OC)OC)O
|
371.40 |
unknown |
https://doi.org/10.1007/BF00629647 |
(10S)-4,5,16-trimethoxy-11-methyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,14,16-hexaene-3,17-diol
|
163012260 |
Click to see
CN1CCC2=CC(=C(C3=C2C1CCC4=CC(=C(C(=C43)O)OC)OC)O)OC
|
371.40 |
unknown |
https://doi.org/10.1007/BF00629647 |
(6aS)-4,5,6,6a,7,8-Hexahydro-2,11,12-trimethoxy-6-methylbenzo[6,7]cyclohept[1,2,3-ij]isoquinoline-1,10-diol
|
1794529 |
Click to see
CN1CCC2=CC(=C(C3=C2C1CCC4=CC(=C(C(=C43)OC)OC)O)O)OC
|
371.40 |
unknown |
https://doi.org/10.1007/BF01375122 |
3,5,17-Trimethoxy-11-methyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,14,16-hexaene-4,16-diol
|
162952828 |
Click to see
CN1CCC2=CC(=C(C3=C2C1CCC4=CC(=C(C(=C43)OC)O)OC)OC)O
|
371.40 |
unknown |
https://doi.org/10.1007/BF00629647 |
4,5,16-Trimethoxy-11-methyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,14,16-hexaene-3,17-diol
|
11810804 |
Click to see
CN1CCC2=CC(=C(C3=C2C1CCC4=CC(=C(C(=C43)O)OC)OC)O)OC
|
371.40 |
unknown |
https://doi.org/10.1007/BF00629647 |
Benzo(6,7)cyclohept(1,2,3-ij)isoquinoline-1,11-diol, 4,5,6,6a,7,8-hexahydro-6-methyl-2,10,12-trimethoxy-, (S)-
|
211119 |
Click to see
CN1CCC2=CC(=C(C3=C2C1CCC4=CC(=C(C(=C43)OC)O)OC)O)OC
|
371.40 |
unknown |
https://doi.org/10.1007/BF00629647 |
Floramultine
|
4837166 |
Click to see
CN1CCC2=CC(=C(C3=C2C1CCC4=CC(=C(C(=C43)OC)OC)O)O)OC
|
371.40 |
unknown |
https://doi.org/10.1007/BF00629647 https://doi.org/10.1007/BF01375122 |
> Alkaloids and derivatives / Lumicolchicine alkaloids
|
beta-Lumicolchicine
|
244898 |
Click to see
CC(=O)NC1CCC2=CC(=C(C(=C2C3=C1C4C3C=C(C4=O)OC)OC)OC)OC
|
399.40 |
unknown |
https://doi.org/10.1007/BF00629833 https://doi.org/10.1007/BF01167579 https://doi.org/10.1135/CCCC19641689 |
gamma-Lumicolchicine
|
110937 |
Click to see
CC(=O)NC1CCC2=CC(=C(C(=C2C3=C1C4C3C=C(C4=O)OC)OC)OC)OC
|
399.40 |
unknown |
https://doi.org/10.1007/BF00629833 https://doi.org/10.1007/BF01167579 |
N-[(12S,16R)-3,4,5,14-tetramethoxy-13-oxo-10-tetracyclo[9.5.0.02,7.012,16]hexadeca-1(11),2,4,6,14-pentaenyl]acetamide
|
91872501 |
Click to see
CC(=O)NC1CCC2=CC(=C(C(=C2C3=C1C4C3C=C(C4=O)OC)OC)OC)OC
|
399.40 |
unknown |
https://doi.org/10.1007/BF01167579 https://doi.org/10.1007/BF00629833 |
> Hydrocarbon derivatives / Tropones
|
(7R)-1,2,3-trimethoxy-7-(methylazaniumyl)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-olate
|
29976854 |
Click to see
C[NH2+]C1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)[O-])OC)OC)OC
|
357.40 |
unknown |
https://doi.org/10.1007/BF00563674 https://doi.org/10.1007/BF00575199 https://doi.org/10.1007/BF00629833 https://doi.org/10.1007/BF00629764 |
(7R)-1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one
|
638269 |
Click to see
CNC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
|
371.40 |
unknown |
https://doi.org/10.1007/BF00629764 https://doi.org/10.1007/BF00575199 https://doi.org/10.1007/BF00563674 https://doi.org/10.1007/BF00629833 |
(7S)-3-hydroxy-1,2,10-trimethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one
|
14413737 |
Click to see
CNC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)O
|
357.40 |
unknown |
https://doi.org/10.1135/CCCC19641689 |
(R)-colchicine
|
53278 |
Click to see
CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
|
399.40 |
unknown |
https://doi.org/10.1007/BF00563674 |
1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one
|
2832 |
Click to see
CNC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
|
371.40 |
unknown |
https://doi.org/10.1007/BF00563674 |
2-Demethylcolchicine
|
23757 |
Click to see
CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)O)OC
|
385.40 |
unknown |
https://doi.org/10.1007/BF00629764 https://doi.org/10.1007/BF00629833 https://doi.org/10.1135/CCCC19641689 https://doi.org/10.1007/BF00575199 |
3-Desmethylcolchicine
|
299664 |
Click to see
CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)O
|
385.40 |
unknown |
https://doi.org/10.1007/BF01167579 |
Colchicine
|
6167 |
Click to see
CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
|
399.40 |
unknown |
https://doi.org/10.1007/BF00629833 https://doi.org/10.1007/BF01167579 https://doi.org/10.1007/BF00563674 |
Demecolcine
|
220401 |
Click to see
CNC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
|
371.40 |
unknown |
https://doi.org/10.1007/BF01167579 |
N-(1,2,3,10-Tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide
|
2833 |
Click to see
CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
|
399.40 |
unknown |
https://doi.org/10.1007/BF00563674 |
> Hydrocarbon derivatives / Tropones / Tropolones
|
Acetamide, N-(5,6,7,9-tetrahydro-2,10-dihydroxy-1,3-dimethoxy-9-oxobenzo(a)heptalen-7-yl)-, (S)-
|
453130 |
Click to see
CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)O)OC)O)OC
|
371.40 |
unknown |
https://doi.org/10.1007/BF00629833 https://doi.org/10.1007/BF00629764 |
Demecolceine
|
10605 |
Click to see
CNC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)O)OC)OC)OC
|
357.40 |
unknown |
https://doi.org/10.1007/BF00563674 https://doi.org/10.1007/BF00575199 https://doi.org/10.1007/BF00629833 https://doi.org/10.1007/BF00629764 |
N-(2,10-dihydroxy-1,3-dimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide
|
78185287 |
Click to see
CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)O)OC)O)OC
|
371.40 |
unknown |
https://doi.org/10.1007/BF00629764 https://doi.org/10.1007/BF00629833 |
N-(3,10-dihydroxy-1,2-dimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide
|
14488090 |
Click to see
CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)O)OC)OC)O
|
371.40 |
unknown |
https://doi.org/10.1007/BF00563674 |
N-[(7R)-3,10-dihydroxy-1,2-dimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
|
162977383 |
Click to see
CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)O)OC)OC)O
|
371.40 |
unknown |
https://doi.org/10.1007/BF00563674 |
> Hydrocarbons / Saturated hydrocarbons / Alkanes
|
Hentriacontane
|
12410 |
Click to see
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
|
436.80 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Colensane and clerodane diterpenoids
|
(1R,3R,4R,4aS,8S,8aR)-4-[2-(furan-3-yl)ethyl]-8-(hydroxymethyl)-3,4a,8-trimethyl-2,3,5,6,7,8a-hexahydro-1H-naphthalene-1,4-diol
|
38350347 |
Click to see
CC1CC(C2C(CCCC2(C1(CCC3=COC=C3)O)C)(C)CO)O
|
336.50 |
unknown |
via CMAUP database |
Marrubenol
|
10449689 |
Click to see
CC1CC(C2C(CCCC2(C1(CCC3=COC=C3)O)C)(C)CO)O
|
336.50 |
unknown |
via CMAUP database |
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Proline and derivatives
|
Betonicine
|
164642 |
Click to see
C[N+]1(CC(CC1C(=O)[O-])O)C
|
159.18 |
unknown |
via CMAUP database |
L-Turicine
|
1550239 |
Click to see
C[N+]1(CC(CC1C(=O)[O-])O)C
|
159.18 |
unknown |
via CMAUP database |
Turicine
|
6560290 |
Click to see
C[N+]1(CC(CC1C(=O)[O-])O)C
|
159.18 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Oligosaccharides
|
Forsythoside B
|
23928102 |
Click to see
CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)COC4C(C(CO4)(CO)O)O)OCCC5=CC(=C(C=C5)O)O)O)O)O)O
|
756.70 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Benzopyrans / 1-benzopyrans / Chromenopyridines
|
(1R,4R,5R,13S,14S)-5,8-dimethoxy-13-methyl-13-oxido-6-oxa-13-azoniapentacyclo[8.6.2.11,5.07,17.014,18]nonadeca-7,9,17-trien-4-ol
|
163193515 |
Click to see
C[N+]1(CCC2=CC(=C3C4=C2C1CCC45CCC(C(C5)(O3)OC)O)OC)[O-]
|
361.40 |
unknown |
https://doi.org/10.1007/BF01375122 |
(1R,4R,5R,14R)-8-methoxy-6-oxa-13-azapentacyclo[8.6.2.11,5.07,17.014,18]nonadeca-7,9,17-triene-4,5-diol
|
162976086 |
Click to see
COC1=C2C3=C4C(CCC35CCC(C(C5)(O2)O)O)NCCC4=C1
|
317.40 |
unknown |
https://doi.org/10.1007/BF00576217 https://doi.org/10.1007/BF00575199 |
(1R,4R,5S,14S)-5,8-dimethoxy-13-methyl-6-oxa-13-azapentacyclo[8.6.2.11,5.07,17.014,18]nonadeca-7,9,17-trien-4-ol
|
162909495 |
Click to see
CN1CCC2=CC(=C3C4=C2C1CCC45CCC(C(C5)(O3)OC)O)OC
|
345.40 |
unknown |
https://doi.org/10.1007/BF01167579 |
5,8-Dimethoxy-13-methyl-6-oxa-13-azapentacyclo[8.6.2.11,5.07,17.014,18]nonadeca-7,9,17-trien-4-ol
|
21853257 |
Click to see
CN1CCC2=CC(=C3C4=C2C1CCC45CCC(C(C5)(O3)OC)O)OC
|
345.40 |
unknown |
https://doi.org/10.1007/BF01167579 |
8-Methoxy-6-oxa-13-azapentacyclo[8.6.2.11,5.07,17.014,18]nonadeca-7,9,17-triene-4,5-diol
|
162976085 |
Click to see
COC1=C2C3=C4C(CCC35CCC(C(C5)(O2)O)O)NCCC4=C1
|
317.40 |
unknown |
https://doi.org/10.1007/BF00576217 https://doi.org/10.1007/BF00575199 |
Robustamine cis-N-oxide
|
163184384 |
Click to see
C[N+]1(CCC2=CC(=C3C4=C2C1CCC45CCC(C(C5)(O3)OC)O)OC)[O-]
|
361.40 |
unknown |
https://doi.org/10.1007/BF01375122 |
> Organoheterocyclic compounds / Lactones / Gamma butyrolactones
|
(1R,4S,8S,9R,10S,12R)-9-[2-(furan-3-yl)ethyl]-9-hydroxy-4,8,10-trimethyl-2-oxatricyclo[6.3.1.04,12]dodecan-3-one
|
25728881 |
Click to see
CC1CC2C3C(CCCC3(C1(CCC4=COC=C4)O)C)(C(=O)O2)C
|
332.40 |
unknown |
via CMAUP database |
Marrubiin
|
73401 |
Click to see
CC1CC2C3C(CCCC3(C1(CCC4=COC=C4)O)C)(C(=O)O2)C
|
332.40 |
unknown |
via CMAUP database |
Premarrubiin
|
168199 |
Click to see
CC1CC2C3C(CCCC3(C14CCC5(O4)COC=C5)C)(C(=O)O2)C
|
332.40 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Coumaric acids and derivatives
|
[(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
|
44429837 |
Click to see
CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)CO)OCCC4=CC(=C(C=C4)O)O)O)O)O)O
|
624.60 |
unknown |
via CMAUP database |
Phaselic acid, (-)-
|
92299542 |
Click to see
C1=CC(=C(C=C1C=CC(=O)OC(CC(=O)O)C(=O)O)O)O
|
296.23 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavones
|
Apigenin
|
5280443 |
Click to see
C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O
|
270.24 |
unknown |
via CMAUP database |
Luteolin
|
5280445 |
Click to see
C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O
|
286.24 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid C-glycosides / Flavonoid 8-C-glycosides
|
Vicenin 2
|
442664 |
Click to see
C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)C4C(C(C(C(O4)CO)O)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O
|
594.50 |
unknown |
via CMAUP database |
Vitexin
|
5280441 |
Click to see
C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4C(C(C(C(O4)CO)O)O)O)O
|
432.40 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glucuronides / Flavonoid-7-O-glucuronides
|
Luteolin 7-glucuronide
|
5280601 |
Click to see
C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O)O
|
462.40 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-7-O-glycosides
|
Apigetrin
|
5280704 |
Click to see
C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O
|
432.40 |
unknown |
via CMAUP database |
Echinacin
|
6439941 |
Click to see
C1=CC(=CC=C1C=CC(=O)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)O)O)O)O
|
578.50 |
unknown |
via CMAUP database |
Luteolin 7-O-glucoside
|
5280637 |
Click to see
C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O
|
448.40 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 7-O-methylated flavonoids
|
Ladanein
|
3084066 |
Click to see
COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)O)O
|
314.29 |
unknown |
via CMAUP database |